4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C21H24N4O2 — CID 90786427

IUPAC4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-20(15(2)25(3)24-14)23-21(26)17-7-5-16(6-8-17)13-22-18-9-11-19(27-4)12-10-18/h5-12,22H,13H2,1-4H3,(H,23,26)
InChIKeyYDKAOJSXZXIUDQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.91
Rot. Bonds6

About 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 90786427) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID90786427
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-20(15(2)25(3)24-14)23-21(26)17-7-5-16(6-8-17)13-22-18-9-11-19(27-4)12-10-18/h5-12,22H,13H2,1-4H3,(H,23,26)
InChIKeyYDKAOJSXZXIUDQ-UHFFFAOYSA-N
XLogP3.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
CID 28664573
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 7699065
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393367

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 90786427) is 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is COc1ccc(NCc2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is YDKAOJSXZXIUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-20(15(2)25(3)24-14)23-21(26)17-7-5-16(6-8-17)13-22-18-9-11-19(27-4)12-10-18/h5-12,22H,13H2,1-4H3,(H,23,26).
What are the key properties of 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 90786427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).